Geometry & MOs

Info

ID:	161639
PubChem CID:	57392218
Reduced:	O6C19H38 (1)
Stoich.:	A6B19C38 (1)
Weight, g/mol:	429.01466
ΔH_f, kcal/mol:	-338.62
Dipole, Da:	3.5
IP(EA), eV:	-10.35(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

DOS

IR

Vibrations